3-[2-(2-cyano-3-isocyano-phenyl)-1,2-bis[(2-sulfanylphenyl)amino]ethyl]-2-isocyano-benzenecarbonitrile

Systemtic Name: 3-[2-(2-cyano-3-isocyano-phenyl)-1,2-bis[(2-sulfanylphenyl)amino]ethyl]-2-isocyano-benzenecarbonitrile Openeye Name: 3-[2-(2-cyano-3-isocyano-phenyl)-1,2-bis(2-sulfanylanilino)ethyl]-2-isocyano-benzonitrile CAS Name: 3-[2-(2-cyano-3-isocyanophenyl)-1,2-bis(2-mercaptoanilino)ethyl]-2-isocyanobenzonitrile IUPAC Name: 3-[2-(2-cyano-3-isocyanophenyl)-1,2-bis(2-sulfanylanilino)ethyl]-2-isocyanobenzonitrile Traditional Name: 3-[2-(2-cyano-3-isocyano-phenyl)-1,2-bis(2-mercaptoanilino)ethyl]-2-isocyano-benzonitrile Formula: C30H20N6S2 MolecularWeight: 528.65

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=CC(=C1C#N)C(C(C2=CC=CC(=C2[N+]#[C-])C#N)NC3=CC=CC=C3S)NC4=CC=CC=C4S

Isomeric SMILES

[C-]#[N+]C1=CC=CC(=C1C#N)C(C(C2=CC=CC(=C2[N+]#[C-])C#N)NC3=CC=CC=C3S)NC4=CC=CC=C4S

InChI

InChI=1S/C30H20N6S2/c1-33-23-14-8-10-20(22(23)18-32)29(35-24-12-3-5-15-26(24)37)30(36-25-13-4-6-16-27(25)38)21-11-7-9-19(17-31)28(21)34-2/h3-16,29-30,35-38H